SCHEMBL1171161

SCHEMBL1171161

c1cn(Cc2cc3[nH]ccc3o2)cn1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 0.58
▸ CYP11B1 P15538 8/20 0.53
▸ CYP11B2 P19099 7/20 0.53
▸ TBXAS1 P24557 3/20 0.50
▸ CYP17A1 P05093 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1171091 0.89 HRH3 (0.49) CYP19A1CYP11B1CYP11B2TBXAS1MEN1
SCHEMBL1552675 0.74 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2TBXAS1CYP17A1
SCHEMBL7297515 0.69 CYP11B1 (1.00) CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL29107867 0.67 CYP11B1 (0.60) CYP19A1CYP11B1CYP11B2TBXAS1CYP17A1
SCHEMBL5041356 0.65 NPC1 (0.46) —
SCHEMBL11159001 0.64 CYP11B1 (0.53) CYP19A1CYP11B1CYP11B2TBXAS1CYP17A1
SCHEMBL9219749 0.64 CYP11B1 (0.54) CYP19A1CYP11B1CYP11B2TBXAS1CYP17A1
SCHEMBL10492343 0.63 CYP11B1 (0.49) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL1170919 0.63 ALOX15 (0.39) MEN1KMT2A
SCHEMBL1171095 0.63 HTR1A (0.38) SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 CYP19A1 834/4885CYP11B1 714/4885CYP11B2 667/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback